BioLiP

PDB

BioLiP

PDB CCD ID:

FQY

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O2 S Se

InChI:

InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)

InChIKey:

IGTNDRSNATZZDO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2
CACTVS 3.385	N[S](=O)(=O)c1ccc([Se]C2CCCCC2)cc1
ACDLabs 12.01	c1c(ccc(c1)[Se]C2CCCCC2)S(N)(=O)=O

Name:

4-(cyclohexylselanyl)benzene-1-sulfonamide

ChEMBL:

CHEMBL4171524

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).